(2S)-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol

C12H25BO3 — CID 154718582

IUPAC(2S)-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
SMILESCC(C)C[C@](C)(O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H25BO3/c1-9(2)8-12(7,14)13-15-10(3,4)11(5,6)16-13/h9,14H,8H2,1-7H3/t12-/m0/s1
InChIKeyFGZKKLGYGURWAT-LBPRGKRZSA-N
MW228.14 g/mol
LogP2.41
Rot. Bonds3

About (2S)-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol

(2S)-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol (PubChem CID 154718582) has the molecular formula C12H25BO3 and a molecular weight of 228.14 g/mol. Its IUPAC name is (2S)-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol.

Molecular Properties

Compound Name(2S)-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
PubChem CID154718582
Molecular FormulaC12H25BO3
Molecular Weight228.14 g/mol
Exact Mass228.19
IUPAC Name(2S)-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
SMILESCC(C)C[C@](C)(O)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C12H25BO3/c1-9(2)8-12(7,14)13-15-10(3,4)11(5,6)16-13/h9,14H,8H2,1-7H3/t12-/m0/s1
InChIKeyFGZKKLGYGURWAT-LBPRGKRZSA-N
XLogP2.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2S)-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,5,5-Tetramethyl-2-(4-methylpentyl)-1,3,2-dioxaborolane
CID 90319034
4,4,5,5-Tetramethyl-2-(2-methylpentyl)-1,3,2-dioxaborolane
CID 90322733
4,4,5,5-Tetramethyl-2-(4-methylpentan-2-yl)-1,3,2-dioxaborolane
CID 90896848
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 141686665
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-3-ol
CID 101505488
(2S)-3-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 154711967
(2R)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-ol
CID 154712535
4-Methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
CID 154712875
(1S)-3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-ol
CID 154713272
(2R)-3-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol
CID 154719660
2-[(2R)-2,4-dimethylpentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 166439683
2-[(2S)-2,4-dimethylpentyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 166443679

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol?
The IUPAC name of (2S)-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol (CID 154718582) is (2S)-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol.
What is the SMILES notation for (2S)-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol?
The canonical SMILES for (2S)-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol is CC(C)C[C@](C)(O)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (2S)-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol?
The InChIKey is FGZKKLGYGURWAT-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H25BO3/c1-9(2)8-12(7,14)13-15-10(3,4)11(5,6)16-13/h9,14H,8H2,1-7H3/t12-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol?
(2S)-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol has a molecular weight of 228.14 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-2-ol is sourced from PubChem (CID 154718582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).